methyl 4-[[3-(2-bromanyl-5-methoxy-4-propoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 4-[[3-(2-bromanyl-5-methoxy-4-propoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: methyl 4-[[3-(2-bromo-5-methoxy-4-propoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[3-(2-bromo-5-methoxy-4-propoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-bromo-5-methoxy-4-propoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[3-(2-bromo-5-methoxy-4-propoxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid methyl ester Formula: C22H21BrN2O5 MolecularWeight: 473.31654

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C(=C1)Br)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)OC)OC

Isomeric SMILES

CCCOC1=C(C=C(C(=C1)Br)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)OC)OC

InChI

InChI=1S/C22H21BrN2O5/c1-4-9-30-20-12-18(23)15(11-19(20)28-2)10-16(13-24)21(26)25-17-7-5-14(6-8-17)22(27)29-3/h5-8,10-12H,4,9H2,1-3H3,(H,25,26)